4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium

C₆₇H₅₉N₆O₄Ru+ — CID 156734942

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium (PubChem CID 156734942) has the molecular formula C₆₇H₅₉N₆O₄Ru+ and a molecular weight of 1113.32 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium.

Molecular Properties

• Compound Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium
• PubChem CID: 156734942
• Molecular Formula: C₆₇H₅₉N₆O₄Ru+
• Molecular Weight: 1113.32 g/mol
• Exact Mass: 1113.36
• IUPAC Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium
• SMILES: COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)cc[n+]3C)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C29H27N2O2.C28H24N2O2.C10H8N2.Ru/c1-31-19-17-25(7-5-23-10-14-27(33-3)15-11-23)21-29(31)28-20-24(16-18-30-28)6-4-22-8-12-26(32-2)13-9-22;1-31-25-11-7-21(8-12-25)3-5-23-15-17-29-27(19-23)28-20-24(16-18-30-28)6-4-22-9-13-26(32-2)14-10-22;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-21H,1-3H3;3-20H,1-2H3;1-8H;/q+1;;;/b6-4+,7-5+;5-3+,6-4+
• InChIKey: HYIAIGMDFHGFQZ-VNGQOYTASA-N
• XLogP: 14.57
• TPSA: 105.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.32
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium?

The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium (CID 156734942) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium.

What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium?

The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium is COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)cc[n+]3C)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium?

The InChIKey is HYIAIGMDFHGFQZ-VNGQOYTASA-N. The full InChI is InChI=1S/C29H27N2O2.C28H24N2O2.C10H8N2.Ru/c1-31-19-17-25(7-5-23-10-14-27(33-3)15-11-23)21-29(31)28-20-24(16-18-30-28)6-4-22-8-12-26(32-2)13-9-22;1-31-25-11-7-21(8-12-25)3-5-23-15-17-29-27(19-23)28-20-24(16-18-30-28)6-4-22-9-13-26(32-2)14-10-22;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-21H,1-3H3;3-20H,1-2H3;1-8H;/q+1;;;/b6-4+,7-5+;5-3+,6-4+;;.

What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium?

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium has a molecular weight of 1113.32 g/mol, XLogP of 14.57, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpyridin-1-ium;4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;2-pyridin-2-ylpyridine;ruthenium is sourced from PubChem (CID 156734942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156734942 — identifiers, structure, computed properties (public domain)

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